During the past decade, the research field of computational X-ray spectroscopy has
witnessed an advancement triggered by the development of advanced synchrotron light …

The metal centres in metalloenzymes and molecular catalysts are responsible for the
rearrangement of atoms and electrons during complex chemical reactions, and they enable …

An overview of both experimental and theoretical results in the field of resonant scattering of
tunable soft and hard x-ray radiation is presented, with a main focus on the closely related …

Continual advancements in the development of synchrotron radiation sources have resulted
in X-ray based spectroscopic techniques capable of probing the electronic and structural …

The ability to access panchromatic absorption and long-lived charge-transfer (CT) excited
states is critical to the pursuit of abundant-metal molecular photosensitizers. Fe (II) …

The performance of several standard and popular approaches for calculating X-ray
absorption spectra at the carbon, nitrogen, and oxygen K-edges of 40 primarily organic …

Reliably identifying short-lived chemical reaction intermediates is crucial to elucidate
reaction mechanisms but becomes particularly challenging when multiple transient species …

Transition metals in inorganic systems and metalloproteins can occur in different oxidation
states, which makes them ideal redox-active catalysts. To gain a mechanistic understanding …

Ferrocene is one of the most common electron donors, and mapping its ligand-field excited
states is critical to designing donor–acceptor (D–A) molecules with long-lived charge …

One major challenge of future sustainable photochemistry is to replace precious and rare
transition metals in applications such as energy conversion or electroluminescence by earth …